Vitas-M small molecule compound

ethyl 4-[({[5-(furan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate

Catalog ID
STK696963
SMILES C=CCn1c(SCC(=O)Nc2ccc(cc2)C(=O)OCC)nnc1c1ccco1

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C20H20N4O4S MW 412.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O4S/c1-3-11-24-18(16-6-5-12-28-16)22-23-20(24)29-13-17(25)21-15-9-7-14(8-10-15)19(26)27-4-2/h3,5-10,12H,1,4,11,13H2,2H3,(H,21,25)
InChIKey
ILXKBAPEORCCKI-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CO3
ethyl4((((5(furan2yl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
ETHYL4((2((5(FURAN2YL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
ETHYL4(2(5(2FURYL)4PROP2ENYL124TRIAZOL3YLTHIO)ACETYLAMINO)BENZOATE
InChI=1SC20H20N4O4Sc13112418(1665122816)222320(24)291317(25)21159714(81015)19(26)2742h351012H141113H22H3(H2125)
MFCD03035001
ZINC000000718781
ZINC00718781
ZINC718781

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Available files

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